(3S,3'R)-3'-(3-Hydroxyphenyl)-4-Methylspiro[1,4-Benzodiazepine-3,2'-Oxirane]-2,5(1H,4H)-Dione

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Formula C17H14N2O4
IUPAC Name (3s,3'r)-3'-(3-hydroxyphenyl)-4-methyl-spiro[1h-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Molecular Mass 310.304 g·mol−1
Heat of Formation -318.5 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 350.33 Å 3
Surface Area 284.16 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3'r)-3'-(3-hydroxyphenyl)-4-methyl-spiro[1h-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
  • (3s,3'r)-3'-(3-hydroxyphenyl)-4-methyl-spiro[1h-1,4-benzodiazepine-3,2'-oxirane]-2,5-quinone
  • (3s,3'r)-3'-(3-hydroxyphenyl)-4-methylspiro[1h-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
  • acon1_000429
InChIKey BDDNYDPRCCDQQJ-PBHICJAKSA-N
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